4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol

C53H41F3N4O3 — CID 145233742

IUPAC4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
SMILESCC(c1ccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2oc(CCc3c[nH]c4ccccc34)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C53H41F3N4O3/c1-32(34-12-16-37(17-13-34)51-50(36-20-26-42(61)27-21-36)60-48(62-51)29-23-40-31-58-46-9-5-3-7-44(40)46)33-10-14-35(15-11-33)49-52(38-18-24-41(25-19-38)53(54,55)56)63-47(59-49)28-22-39-30-57-45-8-4-2-6-43(39)45/h2-21,24-27,30-32,57-58,61H,22-23,28-29H2,1H3
InChIKeyNPQWJDGWZXTCBX-UHFFFAOYSA-N
MW838.93 g/mol
LogP13.74
Rot. Bonds12

About 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol

4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol (PubChem CID 145233742) has the molecular formula C53H41F3N4O3 and a molecular weight of 838.93 g/mol. Its IUPAC name is 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
PubChem CID145233742
Molecular FormulaC53H41F3N4O3
Molecular Weight838.93 g/mol
Exact Mass838.31
IUPAC Name4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
SMILESCC(c1ccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2oc(CCc3c[nH]c4ccccc34)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C53H41F3N4O3/c1-32(34-12-16-37(17-13-34)51-50(36-20-26-42(61)27-21-36)60-48(62-51)29-23-40-31-58-46-9-5-3-7-44(40)46)33-10-14-35(15-11-33)49-52(38-18-24-41(25-19-38)53(54,55)56)63-47(59-49)28-22-39-30-57-45-8-4-2-6-43(39)45/h2-21,24-27,30-32,57-58,61H,22-23,28-29H2,1H3
InChIKeyNPQWJDGWZXTCBX-UHFFFAOYSA-N
XLogP13.74
TPSA103.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.93
LogP ≤ 513.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol with MolForge

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Related Compounds

1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380537
(14S,17S,23S,26S,29S,32S,35S,38S,41R)-32-fluoro-35,38-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-17,41-dimethyl-16,22,25,28,34,37,40,43-octaoxo-7,15,21,24,27,33,36,39,42-nonazahexacyclo[42.2.2.22,5.29,12.017,21.029,33]dopentaconta-1(47),2(52),3,5(51),9,11,44(48),45,49-nonaene-14-carboxamide
CID 158274436
(10S,13S,19S,22R,25S,27S,31S,34S,37R)-27-fluoro-31,34-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-[(1S)-1-hydroxyethyl]-19-[(4-methoxyphenyl)methyl]-13,37-dimethyl-4,12,18,21,24,30,33,36,39-nonaoxo-3,11,17,20,23,29,32,35,38-nonazapentacyclo[39.2.2.25,8.013,17.025,29]heptatetraconta-1(44),5,7,41(45),42,46-hexaene-10-carboxamide
CID 166611963
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 17390423
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole
CID 72708458
3-{7-[5-(3-Methoxyphenyl)-oxazole-2-yl]-naphthalene-2-yl}-6-fluoro-1H-indole
CID 139215795
3-{7-[5-(4-Methoxyphenyl)-oxazole-2-yl]-naphthalene-2-yl}-6-fluoro-1H-indole
CID 139215796
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)propanamide
CID 98443815
2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl]acetic acid
CID 69708981
2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
CID 69709553
2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
CID 69709721
5-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]-1H-indol-3-yl]pentanoic acid
CID 69709790

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol?
The IUPAC name of 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol (CID 145233742) is 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol is CC(c1ccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2oc(CCc3c[nH]c4ccccc34)nc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol?
The InChIKey is NPQWJDGWZXTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41F3N4O3/c1-32(34-12-16-37(17-13-34)51-50(36-20-26-42(61)27-21-36)60-48(62-51)29-23-40-31-58-46-9-5-3-7-44(40)46)33-10-14-35(15-11-33)49-52(38-18-24-41(25-19-38)53(54,55)56)63-47(59-49)28-22-39-30-57-45-8-4-2-6-43(39)45/h2-21,24-27,30-32,57-58,61H,22-23,28-29H2,1H3.
What are the key properties of 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol?
4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol has a molecular weight of 838.93 g/mol, XLogP of 13.74, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 145233742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).